Monomers

Methyl acrylate

Identifiers

IUPAC name
methyl prop-2-enoate
InchI
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
InchI Key
BAPJBEWLBFYGME-UHFFFAOYSA-N
SMILES
COC(=O)C=C
Canonical SMILES
COC(=O)C=C
Isomeric SMILES
COC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
26.3
MolLogP
0.3454
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.3187    0.2684    0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0251    0.6064   -0.4023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1129   -0.0804   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0263   -1.0442    0.7509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4463    0.3038   -0.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4925   -0.3777   -0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5111   -0.8226    0.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655    0.7068   -0.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5314    0.6303    1.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5694    1.1301   -1.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4683   -0.1110   -0.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3886   -1.2100    0.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers